Details of the Drug

General Information of Drug (ID: DMZQ8YV)

Drug Name

PD-0173958

Synonyms

PD173958; AC1NS9BT; PD-0173958; SCHEMBL1335649; CHEMBL578006; BDBM6570; 6-(2,6-dichlorophenyl)-2-(4-ethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one; 2-[(4-Ethoxyphenyl)amino]-8-methyl-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidine-7(8H)-one

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

441.3

Logarithm of the Partition Coefficient (xlogp)

5.2

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C22H18Cl2N4O2
IUPAC Name: 6-(2,6-dichlorophenyl)-2-(4-ethoxyanilino)-8-methylpyrido[2,3-d]pyrimidin-7-one
Canonical SMILES: CCOC1=CC=C(C=C1)NC2=NC=C3C=C(C(=O)N(C3=N2)C)C4=C(C=CC=C4Cl)Cl
InChI: InChI=1S/C22H18Cl2N4O2/c1-3-30-15-9-7-14(8-10-15)26-22-25-12-13-11-16(21(29)28(2)20(13)27-22)19-17(23)5-4-6-18(19)24/h4-12H,3H2,1-2H3,(H,25,26,27)
InChIKey: AFZKXALTXCNQAZ-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 5330525
TTD ID: D0Z7GH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fibroblast growth factor receptor 1 (FGFR1)	TTRLW2X	FGFR1_HUMAN	Inhibitor	[1]
LCK tyrosine protein kinase (LCK)	TT860QF	LCK_HUMAN	Inhibitor	[1]
Platelet-derived growth factor receptor alpha (PDGFRA)	TT8FYO9	PGFRA_HUMAN	Inhibitor	[1]
Platelet-derived growth factor receptor beta (PDGFRB)	TTI7421	PGFRB_HUMAN	Inhibitor	[1]
Proto-oncogene c-Src (SRC)	TT6PKBN	SRC_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Fibroblast growth factor receptor 1 (FGFR1)	DTT	FGFR1	4.79E-02	-0.03	-0.15
Platelet-derived growth factor receptor beta (PDGFRB)	DTT	PDGFRB	5.35E-10	0.36	0.89

Molecular Expression Atlas (MEA)

MEA Detail

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References

1	Biochemical and cellular effects of c-Src kinase-selective pyrido[2, 3-d]pyrimidine tyrosine kinase inhibitors. Biochem Pharmacol. 2000 Oct 1;60(7):885-98.